5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide

C17H16FN3O3 — CID 56784686

IUPAC5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NCC(O)COc2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C17H16FN3O3/c1-11-12(8-19)2-7-16(21-11)17(23)20-9-14(22)10-24-15-5-3-13(18)4-6-15/h2-7,14,22H,9-10H2,1H3,(H,20,23)
InChIKeyBAESDKSZWTUDHZ-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.57
Rot. Bonds6

About 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide

5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide (PubChem CID 56784686) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
PubChem CID56784686
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NCC(O)COc2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C17H16FN3O3/c1-11-12(8-19)2-7-16(21-11)17(23)20-9-14(22)10-24-15-5-3-13(18)4-6-15/h2-7,14,22H,9-10H2,1H3,(H,20,23)
InChIKeyBAESDKSZWTUDHZ-UHFFFAOYSA-N
XLogP1.57
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249
5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide
CID 55975069
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
3-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94664966

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide (CID 56784686) is 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NCC(O)COc2ccc(F)cc2)ccc1C#N.
What is the InChIKey of 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
The InChIKey is BAESDKSZWTUDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-12(8-19)2-7-16(21-11)17(23)20-9-14(22)10-24-15-5-3-13(18)4-6-15/h2-7,14,22H,9-10H2,1H3,(H,20,23).
What are the key properties of 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 56784686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).